BNI1D2 -OEChem-04022106312D 55 58 0 1 0 0 0 0 0999 V2000 2.8660 -3.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5173 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.4827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.6727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 22 1 0 0 0 0 2 55 1 0 0 0 0 3 20 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 45 1 0 0 0 0 7 12 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 1 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 2 0 0 0 0 15 18 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 22 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 21 1 0 0 0 0 19 24 2 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 1 0 0 0 0 23 48 1 0 0 0 0 24 28 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END $$$$